Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA05000090
Common Nameoct-1-en-3-ol (W)
Systematic Nameoct-1-en-3-ol
Synonyms1-Octen-3-ol; 1-vinylhexanol; 3-hydroxy-1-octene; mushroom alcohol; octene-1-
ol-3; vinyl amyl carbinol; vinyl hexanol
Exact Mass
128.1201 (neutral)    Calculate m/z:
FormulaC8H16O
CategoryFatty Acyls [FA]
Main ClassFatty alcohols [FA05]
Sub Class-
AbbrevFOH 8:1
PubChem CID18827
KEGG IDC14272
HMDB IDHMDB0031299
CHEBI ID34118
InChIKeyVSMOENVRRABVKN-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3
Click to highlight InChI
SMILES
C(C(CCCCC)O)=C
Click to highlight SMILES
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms9Rings0Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
153.11Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP2.40Molar
Refractivity
40.86